2-methoxy-4-methyl-3-[3-[methyl-(phenylmethyl)amino]propyl]-6-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methoxy-4-methyl-3-[3-[methyl-(phenylmethyl)amino]propyl]-6-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-[3-[benzyl(methyl)amino]propyl]-2-methoxy-4-methyl-6-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-methoxy-4-methyl-3-[3-[methyl-(phenylmethyl)amino]propyl]-6-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 3-[3-[benzyl(methyl)amino]propyl]-2-methoxy-4-methyl-6-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-[3-[benzyl(methyl)amino]propyl]-2-methoxy-4-methyl-6-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(N=C(N1CCCN(C)CC2=CC=CC=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1C(=C(N=C(N1CCCN(C)CC2=CC=CC=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H28N4O5/c1-17-21(23(29)30)22(19-11-7-12-20(15-19)28(31)32)25-24(33-3)27(17)14-8-13-26(2)16-18-9-5-4-6-10-18/h4-7,9-12,15,17H,8,13-14,16H2,1-3H3,(H,29,30)